! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl   1.3580639920   0.3789897521  -1.9040658071
Cl   1.5279695054  -4.4692039625   0.2587826123
O   -1.7942926700   1.1740766053   1.2146100482
O   -0.7970650062   1.8351245389  -0.6559265179
N    1.6844732535   2.2261233261   0.8396192126
N    2.6723247985   1.3616692172   1.0900491992
N    3.3348834714   2.9050425464  -0.3980681617
C   -0.5539761519   1.2058406663   0.5602543093
C   -2.8254074660   1.1236832305   0.2223611417
C   -2.0578964892   1.3564084252  -1.0870794484
C   -3.5937464958  -0.1831526957   0.2567464685
C    0.3727271806   2.0782203838   1.4103750990
C   -0.0089346527  -0.2169558520   0.4035452986
C   -4.7649756466  -0.1770473082  -0.7192213633
C    0.8258082471  -0.6526936326  -0.6224560111
C   -0.3286342140  -1.1432999600   1.3945882552
C   -5.5436230233  -1.4824452444  -0.6888076134
C    1.2948589843  -1.9592666751  -0.6750833712
C    0.1326797045  -2.4463854988   1.3734569469
C    2.0913809634   3.1274372488  -0.0548651324
C    0.9420217280  -2.8450262500   0.3243663526
C    3.6315052196   1.8079237246   0.3233021258
H   -3.5082385715   1.9541300645   0.4254449282
H   -1.9505676813   0.4288949887  -1.6631338662
H   -2.5138808680   2.1085607788  -1.7280747992
H   -3.9681929012  -0.3553727995   1.2694966110
H   -2.9211348393  -1.0136072715   0.0207135018
H    0.4769551347   1.6500510249   2.4056912612
H   -0.0706266648   3.0682497782   1.5145073916
H   -4.4060221775   0.0033089358  -1.7369716988
H   -5.4327783971   0.6553067795  -0.4802807082
H   -0.9663647362  -0.8435412272   2.2139709184
H   -4.9090313313  -2.3281723273  -0.9580930500
H   -5.9486317091  -1.6787181565   0.3051345572
H   -6.3801198770  -1.4631726005  -1.3878038392
H    1.9350882742  -2.2726020229  -1.4874420155
H   -0.1405437937  -3.1337769306   2.1612904144
H    1.4641204254   3.9303061743  -0.4071010174
H    4.5962832809   1.3267332623   0.2942085728
*
